2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile

C137H124Cl5N27O6 — CID 159218771

About 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile

2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile (PubChem CID 159218771) has the molecular formula C137H124Cl5N27O6 and a molecular weight of 2421.95 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
• PubChem CID: 159218771
• Molecular Formula: C137H124Cl5N27O6
• Molecular Weight: 2421.95 g/mol
• Exact Mass: 2417.87
• IUPAC Name: 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
• SMILES: CC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1.N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccncc4)CC3)n2c1.N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4cnccn4)CC3)n2c1
• InChI: InChI=1S/C31H25ClN6O.C30H24ClN7O.C28H26ClN5O2.C28H26ClN5O.C20H23ClN4O/c32-26-8-5-22(6-9-26)30-28(21-36-15-17-37(18-16-36)31(39)23-11-13-34-14-12-23)38-20-25(7-10-29(38)35-30)27-4-2-1-3-24(27)19-33;31-24-8-5-21(6-9-24)29-27(20-36-13-15-37(16-14-36)30(39)26-18-33-11-12-34-26)38-19-23(7-10-28(38)35-29)25-4-2-1-3-22(25)17-32;1-36-19-27(35)33-14-12-32(13-15-33)18-25-28(20-6-9-23(29)10-7-20)31-26-11-8-22(17-34(25)26)24-5-3-2-4-21(24)16-30;1-2-27(35)33-15-13-32(14-16-33)19-25-28(20-7-10-23(29)11-8-20)31-26-12-9-22(18-34(25)26)24-6-4-3-5-21(24)17-30;1-14(2)17-12-25-18(13-24-7-9-26-10-8-24)20(23-19(25)11-22-17)15-3-5-16(21)6-4-15/h1-14,20H,15-18,21H2;1-12,18-19H,13-16,20H2;2-11,17H,12-15,18-19H2,1H3;3-12,18H,2,13-16,19H2,1H3;3-6,11-12,14H,7-10,13H2,1-2H3
• InChIKey: KRKMNGOHIKOOAV-UHFFFAOYSA-N
• XLogP: 24.22
• TPSA: 349.12 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.95
LogP ≤ 5	24.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?

The IUPAC name of 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile (CID 159218771) is 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile.

What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?

The canonical SMILES for 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile is CC(C)c1cn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2cn1.CCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1.COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4C#N)cn23)CC1.N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4ccncc4)CC3)n2c1.N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4cnccn4)CC3)n2c1.

What is the InChIKey of 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?

The InChIKey is KRKMNGOHIKOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClN6O.C30H24ClN7O.C28H26ClN5O2.C28H26ClN5O.C20H23ClN4O/c32-26-8-5-22(6-9-26)30-28(21-36-15-17-37(18-16-36)31(39)23-11-13-34-14-12-23)38-20-25(7-10-29(38)35-30)27-4-2-1-3-24(27)19-33;31-24-8-5-21(6-9-24)29-27(20-36-13-15-37(16-14-36)30(39)26-18-33-11-12-34-26)38-19-23(7-10-28(38)35-29)25-4-2-1-3-22(25)17-32;1-36-19-27(35)33-14-12-32(13-15-33)18-25-28(20-6-9-23(29)10-7-20)31-26-11-8-22(17-34(25)26)24-5-3-2-4-21(24)16-30;1-2-27(35)33-15-13-32(14-16-33)19-25-28(20-7-10-23(29)11-8-20)31-26-12-9-22(18-34(25)26)24-6-4-3-5-21(24)17-30;1-14(2)17-12-25-18(13-24-7-9-26-10-8-24)20(23-19(25)11-22-17)15-3-5-16(21)6-4-15/h1-14,20H,15-18,21H2;1-12,18-19H,13-16,20H2;2-11,17H,12-15,18-19H2,1H3;3-12,18H,2,13-16,19H2,1H3;3-6,11-12,14H,7-10,13H2,1-2H3.

What are the key properties of 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile?

2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile has a molecular weight of 2421.95 g/mol, XLogP of 24.22, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)-3-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 159218771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).